4,4,4-trifluoro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)butan-1-amine

C13H20F3N3 — CID 29087617

IUPAC4,4,4-trifluoro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)butan-1-amine
SMILESCN(CCCC(F)(F)F)Cc1n[nH]c2c1CCCC2
InChIInChI=1S/C13H20F3N3/c1-19(8-4-7-13(14,15)16)9-12-10-5-2-3-6-11(10)17-18-12/h2-9H2,1H3,(H,17,18)
InChIKeyNNFLHDRVBZDVLJ-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.06
Rot. Bonds5

About 4,4,4-trifluoro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)butan-1-amine

4,4,4-trifluoro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)butan-1-amine (PubChem CID 29087617) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)butan-1-amine
PubChem CID29087617
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name4,4,4-trifluoro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)butan-1-amine
SMILESCN(CCCC(F)(F)F)Cc1n[nH]c2c1CCCC2
InChIInChI=1S/C13H20F3N3/c1-19(8-4-7-13(14,15)16)9-12-10-5-2-3-6-11(10)17-18-12/h2-9H2,1H3,(H,17,18)
InChIKeyNNFLHDRVBZDVLJ-UHFFFAOYSA-N
XLogP3.06
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)butan-1-amine (CID 29087617) is 4,4,4-trifluoro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)butan-1-amine is CN(CCCC(F)(F)F)Cc1n[nH]c2c1CCCC2.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)butan-1-amine?
The InChIKey is NNFLHDRVBZDVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-19(8-4-7-13(14,15)16)9-12-10-5-2-3-6-11(10)17-18-12/h2-9H2,1H3,(H,17,18).
What are the key properties of 4,4,4-trifluoro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)butan-1-amine?
4,4,4-trifluoro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)butan-1-amine has a molecular weight of 275.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 29087617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).